N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C16H17N3O2 — CID 90640912

IUPACN-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)Nc1cccnc1
InChIInChI=1S/C16H17N3O2/c20-16(19-12-4-3-8-17-10-12)11-21-15-7-9-18-14-6-2-1-5-13(14)15/h3-4,7-10H,1-2,5-6,11H2,(H,19,20)
InChIKeyFWGKECSBRLXCPG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds4

About N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640912) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640912
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)Nc1cccnc1
InChIInChI=1S/C16H17N3O2/c20-16(19-12-4-3-8-17-10-12)11-21-15-7-9-18-14-6-2-1-5-13(14)15/h3-4,7-10H,1-2,5-6,11H2,(H,19,20)
InChIKeyFWGKECSBRLXCPG-UHFFFAOYSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640912) is N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is O=C(COc1ccnc2c1CCCC2)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is FWGKECSBRLXCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(19-12-4-3-8-17-10-12)11-21-15-7-9-18-14-6-2-1-5-13(14)15/h3-4,7-10H,1-2,5-6,11H2,(H,19,20).
What are the key properties of N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).